N-tert-butyl-2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]ethanamide

Systemtic Name: N-tert-butyl-2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]ethanamide Openeye Name: N-tert-butyl-2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]acetamide CAS Name: N-tert-butyl-2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]acetamide IUPAC Name: N-tert-butyl-2-[(2-chloro-5-nitrophenyl)carbamothioylamino]acetamide Traditional Name: N-tert-butyl-2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]acetamide Formula: C13H17ClN4O3S MolecularWeight: 344.81708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)NC(=O)CNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H17ClN4O3S/c1-13(2,3)17-11(19)7-15-12(22)16-10-6-8(18(20)21)4-5-9(10)14/h4-6H,7H2,1-3H3,(H,17,19)(H2,15,16,22)